N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | M070-1245 |
| Compound Name: | N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C19 H20 N2 O4 S3 |
| Smiles: | CC(C)CSc1nc2ccc(cc2s1)NS(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3567 |
| logD: | 4.3521 |
| logSw: | -4.2947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.793 |
| InChI Key: | NADPHGOISIXTRY-UHFFFAOYSA-N |